Geometry & MOs

Info

ID:	22989
PubChem CID:	600687
Reduced:	BrSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	375.98811
ΔH_f, kcal/mol:	0.27
Dipole, Da:	3.89
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=CC=C3Br

DOS

IR

Vibrations